(2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide

C16H20N4OS — CID 95299658

IUPAC(2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@@H](C(=O)NCCc1cccs1)N1CCc2cncnc2C1
InChIInChI=1S/C16H20N4OS/c1-12(16(21)18-6-4-14-3-2-8-22-14)20-7-5-13-9-17-11-19-15(13)10-20/h2-3,8-9,11-12H,4-7,10H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyMIFKSBBKADWGPZ-LBPRGKRZSA-N
MW316.43 g/mol
LogP1.64
Rot. Bonds5

About (2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide

(2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 95299658) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID95299658
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@@H](C(=O)NCCc1cccs1)N1CCc2cncnc2C1
InChIInChI=1S/C16H20N4OS/c1-12(16(21)18-6-4-14-3-2-8-22-14)20-7-5-13-9-17-11-19-15(13)10-20/h2-3,8-9,11-12H,4-7,10H2,1H3,(H,18,21)/t12-/m0/s1
InChIKeyMIFKSBBKADWGPZ-LBPRGKRZSA-N
XLogP1.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(5-chloro-2-pyridinyl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide
CID 95303117
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 17447413
(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9037388
2-(3,5-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858751
2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 166211283
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
1-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134654
1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134656
(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 9127313
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78835231

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of (2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 95299658) is (2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for (2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide is C[C@@H](C(=O)NCCc1cccs1)N1CCc2cncnc2C1.
What is the InChIKey of (2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is MIFKSBBKADWGPZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12(16(21)18-6-4-14-3-2-8-22-14)20-7-5-13-9-17-11-19-15(13)10-20/h2-3,8-9,11-12H,4-7,10H2,1H3,(H,18,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide?
(2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 316.43 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 95299658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).